Ethyl picolinoylacetate supplier

Name
Ethyl picolinoylacetate
EINECS
CAS No. 26510-52-1
Article Data35
CAS DataBase
Density 1.156 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₃
Boiling Point 276.584 °C at 760 mmHg
Molecular Weight 193.202
Flash Point 121.074 °C
Transport Information
Appearance clear straw-yellow to brown liquid
Safety 24/25
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Pyridinepropionicacid, b-oxo-, ethyl ester (6CI,8CI);3-Oxo-3-(pyridin-2-yl)propionic Acid Ethyl Ester;Ethyl 2-pyridylcarbonylacetate;Ethyl 3-(2-pyridyl)-3-oxopropionate;Ethyl 3-(pyridin-2-yl)-3-oxopropanoate;Ethyl 3-oxo-3-(2-pyridinyl)propanoate;ethyl 3-oxo-3-(pyridin-2-yl)propanoate;
PSA 56.26000
LogP 1.21750

Ethyl picolinoylacetate Specification

This chemical is called Ethyl 3-oxo-3-(2-pyridyl)propanoate, and its CAS registry number is 26510-52-1. With the molecular formula of C₁₀H₁₁NO₃, its molecular weight is 193.20. In addition, this chemical should be sealed in the cool and dry plcace. Please avoid contcating it with skin and eyes if you use it.

Other characteristics of the Ethyl 3-oxo-3-(2-pyridyl)propanoate can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.275; (4)ACD/LogD (pH 7.4): 1.275; (5)ACD/BCF (pH 5.5): 5.479; (6)ACD/BCF (pH 7.4): 5.478; (7)ACD/KOC (pH 5.5): 117.493; (8)ACD/KOC (pH 7.4): 117.484; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.26 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 50.046 cm³; (15)Molar Volume: 167.19 cm³; (16)Polarizability: 19.84×10^-24cm³; (17)Surface Tension: 44.037 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 121.074 °C; (20)Enthalpy of Vaporization: 51.51 kJ/mol; (21)Boiling Point: 276.584 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

Uses of this chemical: The Ethyl 3-oxo-3-(2-pyridyl)propanoate could react with 1-methyl-1H-pyrazol-3-ylamine, and obtain the 1-methyl-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one. This reaction needs the reagent of polyphosphoric acid. The yield is 75.4 %. In addition, this reaction should be taken for 80 minutes at the temperature of 120 °C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)CC(=O)c1ccccn1
2.InChI: InChI=1/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3
3.InChIKey: FQHXWZMJALFSJJ-UHFFFAOYAE

Product Name

Ethyl picolinoylacetate

Ethyl picolinoylacetate Specification

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